3-[(E)-prop-1-enyl]benzenesulfonate

Systemtic Name: 3-[(E)-prop-1-enyl]benzenesulfonate Openeye Name: 3-[(E)-prop-1-enyl]benzenesulfonate CAS Name: 3-[(E)-prop-1-enyl]benzenesulfonate IUPAC Name: 3-[(E)-prop-1-enyl]benzenesulfonate Traditional Name: 3-[(E)-prop-1-enyl]besylate Formula: C9H9O3S- MolecularWeight: 197.23096

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=CC=C1)S(=O)(=O)[O-]

Isomeric SMILES

C/C=C/C1=CC(=CC=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H10O3S/c1-2-4-8-5-3-6-9(7-8)13(10,11)12/h2-7H,1H3,(H,10,11,12)/p-1/b4-2+